source: src/Makefile.am@ af9be32

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since af9be32 was af9be32, checked in by Frederik Heber <heber@…>, 13 years ago

Added BondInfo to store bond's state information for later re-instantiation.
  • Property mode set to 100644
File size: 13.0 KB
Line 
1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4MOSTLYCLEANFILES =
5lib_LTLIBRARIES =
6noinst_LTLIBRARIES =
7pyexec_LTLIBRARIES =
8BUILT_SOURCES =
9bin_PROGRAMS =
10
11include Actions/Makefile.am
12include Analysis/Makefile.am
13include Atom/Makefile.am
14include Element/Makefile.am
15include Filling/Makefile.am
16include Fragmentation/Makefile.am
17include Graph/Makefile.am
18include Helpers/Makefile.am
19include LinkedCell/Makefile.am
20include Parser/Makefile.am
21include RandomNumbers/Makefile.am
22include Shapes/Makefile.am
23include UIElements/Makefile.am
24
25AM_LDFLAGS = -ldl ${BOOST_LDFLAGS}
26AM_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS}
27
28BONDSOURCE = \
29 Bond/bond.cpp \
30 Bond/bond_observable.cpp \
31 Bond/BondInfo.cpp \
32 Bond/GraphEdge.cpp
33
34BONDHEADER = \
35 Bond/bond.hpp \
36 Bond/bond_observable.hpp \
37 Bond/BondInfo.hpp \
38 Bond/GraphEdge.hpp
39
40DESCRIPTORSOURCE = \
41 Descriptors/AtomDescriptor.cpp \
42 Descriptors/AtomIdDescriptor.cpp \
43 Descriptors/AtomOfMoleculeDescriptor.cpp \
44 Descriptors/AtomOfMoleculeSelectionDescriptor.cpp \
45 Descriptors/AtomOrderDescriptor.cpp \
46 Descriptors/AtomSelectionDescriptor.cpp \
47 Descriptors/AtomShapeDescriptor.cpp \
48 Descriptors/AtomTypeDescriptor.cpp \
49 Descriptors/AtomsWithinDistanceOfDescriptor.cpp \
50 Descriptors/MoleculeDescriptor.cpp \
51 Descriptors/MoleculeFormulaDescriptor.cpp \
52 Descriptors/MoleculeIdDescriptor.cpp \
53 Descriptors/MoleculeNameDescriptor.cpp \
54 Descriptors/MoleculeOfAtomSelectionDescriptor.cpp \
55 Descriptors/MoleculeOrderDescriptor.cpp \
56 Descriptors/MoleculePtrDescriptor.cpp \
57 Descriptors/MoleculeSelectionDescriptor.cpp
58
59
60DESCRIPTORHEADER = \
61 Descriptors/AtomDescriptor.hpp \
62 Descriptors/AtomIdDescriptor.hpp \
63 Descriptors/AtomOfMoleculeDescriptor.hpp \
64 Descriptors/AtomOfMoleculeSelectionDescriptor.hpp \
65 Descriptors/AtomOrderDescriptor.hpp \
66 Descriptors/AtomSelectionDescriptor.hpp \
67 Descriptors/AtomShapeDescriptor.hpp \
68 Descriptors/AtomTypeDescriptor.hpp \
69 Descriptors/AtomsWithinDistanceOfDescriptor.hpp \
70 Descriptors/DescriptorBase.hpp \
71 Descriptors/MoleculeDescriptor.hpp \
72 Descriptors/MoleculeFormulaDescriptor.hpp \
73 Descriptors/MoleculeIdDescriptor.hpp \
74 Descriptors/MoleculeNameDescriptor.hpp \
75 Descriptors/MoleculeOfAtomSelectionDescriptor.hpp \
76 Descriptors/MoleculeOrderDescriptor.hpp \
77 Descriptors/MoleculePtrDescriptor.hpp \
78 Descriptors/MoleculeSelectionDescriptor.hpp \
79 Descriptors/SelectiveIterator.hpp
80
81DESCRIPTORIMPLHEADER = \
82 Descriptors/AtomDescriptor_impl.hpp \
83 Descriptors/AtomIdDescriptor_impl.hpp \
84 Descriptors/AtomOfMoleculeDescriptor_impl.hpp \
85 Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp \
86 Descriptors/AtomOrderDescriptor_impl.hpp \
87 Descriptors/AtomSelectionDescriptor_impl.hpp \
88 Descriptors/AtomShapeDescriptor_impl.hpp \
89 Descriptors/AtomTypeDescriptor_impl.hpp \
90 Descriptors/AtomsWithinDistanceOfDescriptor_impl.hpp \
91 Descriptors/DescriptorBase_impl.hpp \
92 Descriptors/MoleculeDescriptor_impl.hpp \
93 Descriptors/MoleculeFormulaDescriptor_impl.hpp \
94 Descriptors/MoleculeIdDescriptor_impl.hpp \
95 Descriptors/MoleculeNameDescriptor_impl.hpp \
96 Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp \
97 Descriptors/MoleculeOrderDescriptor_impl.hpp \
98 Descriptors/MoleculePtrDescriptor_impl.hpp \
99 Descriptors/MoleculeSelectionDescriptor_impl.hpp \
100 Descriptors/SelectiveIterator_impl.hpp
101
102DYNAMICSSOURCE = \
103 Dynamics/MinimiseConstrainedPotential.cpp
104
105DYNAMICSHEADER = \
106 Dynamics/LinearInterpolationBetweenSteps.hpp \
107 Dynamics/MinimiseConstrainedPotential.hpp \
108 Dynamics/OutputTemperature.hpp \
109 Dynamics/VerletForceIntegration.hpp
110
111THERMOSTATSOURCE = \
112 Thermostats/Berendsen.cpp \
113 Thermostats/GaussianThermostat.cpp \
114 Thermostats/Langevin.cpp \
115 Thermostats/NoseHoover.cpp \
116 Thermostats/NoThermostat.cpp \
117 Thermostats/Thermostat.cpp \
118 Thermostats/ThermoStatContainer.cpp \
119 Thermostats/Woodcock.cpp
120
121THERMOSTATHEADER = \
122 Thermostats/Berendsen.hpp \
123 Thermostats/GaussianThermostat.hpp \
124 Thermostats/Langevin.hpp \
125 Thermostats/NoseHoover.hpp \
126 Thermostats/NoThermostat.hpp \
127 Thermostats/Thermostat.hpp \
128 Thermostats/ThermoStatContainer.hpp \
129 Thermostats/Woodcock.hpp
130
131TESSELATIONSOURCE = \
132 Tesselation/ApproximateShapeArea.cpp \
133 Tesselation/ApproximateShapeVolume.cpp \
134 Tesselation/boundary.cpp \
135 Tesselation/BoundaryLineSet.cpp \
136 Tesselation/BoundaryPointSet.cpp \
137 Tesselation/BoundaryPolygonSet.cpp \
138 Tesselation/BoundaryTriangleSet.cpp \
139 Tesselation/CandidateForTesselation.cpp \
140 Tesselation/ellipsoid.cpp \
141 Tesselation/tesselation.cpp \
142 Tesselation/tesselationhelpers.cpp \
143 Tesselation/triangleintersectionlist.cpp
144
145TESSELATIONHEADER = \
146 Tesselation/ApproximateShapeArea.hpp \
147 Tesselation/ApproximateShapeVolume.hpp \
148 Tesselation/boundary.hpp \
149 Tesselation/BoundaryLineSet.hpp \
150 Tesselation/BoundaryMaps.hpp \
151 Tesselation/BoundaryPointSet.hpp \
152 Tesselation/BoundaryPolygonSet.hpp \
153 Tesselation/BoundaryTriangleSet.hpp \
154 Tesselation/CandidateForTesselation.hpp \
155 Tesselation/ellipsoid.hpp \
156 Tesselation/tesselation.hpp \
157 Tesselation/tesselationhelpers.hpp \
158 Tesselation/triangleintersectionlist.hpp
159
160MOLECUILDERSOURCE = \
161 ${BONDSOURCE} \
162 ${DESCRIPTORSOURCE} \
163 ${DYNAMICSSOURCE} \
164 ${THERMOSTATSOURCE} \
165 ${TESSELATIONSOURCE} \
166 AtomIdSet.cpp \
167 Box.cpp \
168 Box_BoundaryConditions.cpp \
169 config.cpp \
170 Formula.cpp \
171 MoleculeLeafClass.cpp \
172 moleculelist.cpp \
173 molecule.cpp \
174 molecule_geometry.cpp \
175 molecule_graph.cpp \
176 UIElements/UIFactory.cpp \
177 version.c \
178 World.cpp \
179 WorldTime.cpp
180
181MOLECUILDERHEADER = \
182 ${BONDHEADER} \
183 ${DESCRIPTORHEADER} \
184 ${DESCRIPTORIMPLHEADER} \
185 ${DYNAMICSHEADER} \
186 ${THERMOSTATHEADER} \
187 ${TESSELATIONHEADER} \
188 AtomIdSet.hpp \
189 Box.hpp \
190 Box_BoundaryConditions.hpp \
191 config.hpp \
192 Formula.hpp \
193 IdPool.hpp \
194 IdPool_impl.hpp \
195 IdPool_policy.hpp \
196 MoleculeLeafClass.hpp \
197 MoleculeListClass.hpp \
198 molecule.hpp \
199 types.hpp \
200 UIElements/UIFactory.hpp \
201 version.h \
202 World.hpp \
203 World_calculations.hpp \
204 WorldTime.hpp
205
206noinst_LTLIBRARIES += libMolecuilder.la
207libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
208
209nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
210
211## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
212## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
213## will therefore be treated as if it were literally part of the target name,
214## and the variable name derived from that.
215## The file extension .cc is recognized by Automake, and makes it produce
216## rules which invoke the C++ compiler to produce a libtool object file (.lo)
217## from each source file. Note that it is not necessary to list header files
218## which are already listed elsewhere in a _HEADERS variable assignment.
219libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE}
220
221## Instruct libtool to include ABI version information in the generated shared
222## library file (.so). The library ABI version is defined in configure.ac, so
223## that all version information is kept in one place.
224#libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
225
226## The generated configuration header is installed in its own subdirectory of
227## $(libdir). The reason for this is that the configuration information put
228## into this header file describes the target platform the installed library
229## has been built for. Thus the file must not be installed into a location
230## intended for architecture-independent files, as defined by the Filesystem
231## Hierarchy Standard (FHS).
232## The nodist_ prefix instructs Automake to not generate rules for including
233## the listed files in the distribution on 'make dist'. Files that are listed
234## in _HEADERS variables are normally included in the distribution, but the
235## configuration header file is generated at configure time and should not be
236## shipped with the source tarball.
237libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
238nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
239
240## Install the generated pkg-config file (.pc) into the expected location for
241## architecture-dependent package configuration information. Occasionally,
242## pkg-config files are also used for architecture-independent data packages,
243## in which case the correct install location would be $(datadir)/pkgconfig.
244pkgconfigdir = $(libdir)/pkgconfig
245pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
246
247
248INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements -I$(top_srcdir)/LinearAlgebra/src
249
250libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
251noinst_LIBRARIES = libmenu.a
252bin_PROGRAMS += molecuilder joiner analyzer
253EXTRA_PROGRAMS = unity
254
255
256extrastuffdir = $(datadir)/@PACKAGE@/data
257databasedir = $(extrastuffdir)/databases
258database_DATA = \
259 ${top_srcdir}/data/databases/*.db
260
261bondtabledir = $(extrastuffdir)/bondtables
262bondtable_DATA = \
263 ${top_srcdir}/data/bondtables/*.dat
264
265moleculedir = $(extrastuffdir)/molecules
266molecule_DATA = \
267 ${top_srcdir}/data/molecules/*.pdb
268
269if CONDPYTHON
270pyexec_LTLIBRARIES += pyMoleCuilder.la
271pyMoleCuilder_la_SOURCES = \
272 cleanUp.cpp \
273 cleanUp.hpp \
274 Actions/Action_impl_python.hpp \
275 Actions/GlobalListOfActions.hpp \
276 Actions/ActionHistory.hpp \
277 Actions/pyMoleCuilder.cpp
278pyMoleCuilder_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} -I$(PYTHON_INCLUDE_DIR)
279pyMoleCuilder_la_LDFLAGS = -module -avoid-version -shared
280pyMoleCuilder_la_LIBADD = \
281 libMolecuilderUI.la \
282 $(BOOST_PYTHON_LDFLAGS) $(BOOST_PYTHON_LIBS) \
283 ${CodePatterns_LIBS} \
284 -l$(PYTHON_LIB)
285endif
286
287
288molecuilder_CXXFLAGS = $(AM_CPPFLAGS)
289#molecuilder_CXXFLAGS += -DNO_CACHING
290molecuilder_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
291molecuilder_SOURCES = \
292 builder.cpp \
293 builder_init.cpp \
294 builder_init.hpp \
295 cleanUp.cpp \
296 cleanUp.hpp
297molecuilder_LDADD = \
298 libMolecuilderUI.la \
299 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
300 ${CodePatterns_LIBS} \
301 $(BOOST_THREAD_LIBS) \
302 $(BOOST_PROGRAM_OPTIONS_LIBS) \
303 $(BOOST_RANDOM_LIBS) \
304 $(BOOST_SYSTEM_LIBS) \
305 $(BOOST_FILESYSTEM_LIBS)
306
307#Stuff for building the GUI using Qt
308if CONDQTGUI
309bin_PROGRAMS += molecuildergui
310molecuildergui_SOURCES = \
311 builder.cpp \
312 builder_init.cpp \
313 builder_init.hpp \
314 cleanUp.cpp \
315 cleanUp.hpp
316molecuildergui_CXXFLAGS = $(AM_CPPFLAGS) -DUSE_GUI_QT
317molecuildergui_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
318molecuildergui_LDADD = \
319 libMolecuilderQtUI.la \
320 libMolecuilderUI.la \
321 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
322 ${CodePatterns_LIBS} \
323 $(BOOST_THREAD_LIBS) \
324 $(BOOST_PROGRAM_OPTIONS_LIBS) \
325 $(BOOST_RANDOM_LIBS) \
326 $(BOOST_SYSTEM_LIBS) \
327 $(BOOST_FILESYSTEM_LIBS) \
328 $(GUI_LIBS)
329endif
330
331joiner_SOURCES = Fragmentation/joiner.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
332joiner_CXXFLAGS = $(AM_CPPFLAGS)
333joiner_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
334joiner_LDADD = \
335 libMolecuilderFragmentation.la \
336 libMolecuilderHelpers.la \
337 libMolecuilderElement.la \
338 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
339 ${CodePatterns_LIBS} \
340 $(BOOST_THREAD_LIBS)
341
342analyzer_SOURCES = Fragmentation/analyzer.cpp Fragmentation/datacreator.cpp Fragmentation/datacreator.hpp
343analyzer_CXXFLAGS = $(AM_CPPFLAGS)
344analyzer_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
345analyzer_LDADD = \
346 libMolecuilderFragmentation.la \
347 libMolecuilderHelpers.la \
348 libMolecuilderElement.la \
349 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
350 ${CodePatterns_LIBS} \
351 $(BOOST_THREAD_LIBS)
352
353unity_SOURCES = unity.cpp
354unity_CXXFLAGS = $(AM_CPPFLAGS)
355unity_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
356unity_LDADD = \
357 ${CodePatterns_LIBS} \
358 $(BOOST_THREAD_LIBS) \
359 $(BOOST_PROGRAM_OPTIONS_LIBS) \
360 $(BOOST_RANDOM_LIBS) \
361 $(BOOST_SYSTEM_LIBS) \
362 $(BOOST_FILESYSTEM_LIBS)
363
364
365FORCE:
366$(srcdir)/.git-version: FORCE
367 @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
368 && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
369 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
370 mv -f .git-version-t $(srcdir)/.git-version; \
371 else \
372 rm -f .git-version-t; \
373 fi
374
375EXTRA_DIST = \
376 $(srcdir)/.git-version \
377 $(bondtable_DATA) \
378 $(database_DATA) \
379 $(molecule_DATA)
380
381$(srcdir)/version.c: $(srcdir)/.git-version
382 echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
383
384
385unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
386 list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
387 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
388 done; \
389 subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
390 olddir=$$PWD;\
391 cd $$directory && make unity.cpp;\
392 cd $$olddir;\
393 echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
394 done;\
395 echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
396 echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
397
398MOSTLYCLEANFILES += unity.cpp
399
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